General Information of the Compound
| Compound ID |
CP0567402
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| Compound Name |
5-[[1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]-2-methyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one
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| Structure |
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| Formula |
C22H26N4O2
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| Molecular Weight |
378.476
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| Canonical SMILES |
CC1CC(=O)N(Cc2nc3ccccc3n2CCCCO)c2ccccc2N1
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| InChI |
InChI=1S/C22H26N4O2/c1-16-14-22(28)26(20-11-5-2-8-17(20)23-16)15-21-24-18-9-3-4-10-19(18)25(21)12-6-7-13-27/h2-5,8-11,16,23,27H,6-7,12-15H2,1H3
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| InChIKey |
SIONGGHXKIDIDE-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound